Information card for entry 2220062

Structure parameters

• Chemical name: Tetrakis[μ-2-(3-phenoxyphenyl)propionato- κ^2^<i>O</i>:<i>O</i>']bis[(dimethylformamide-κ<i>O</i>)copper(II)]
• Formula: C66 H66 Cu2 N2 O14
• Calculated formula: C66 H66 Cu2 N2 O14
• SMILES: C1([C@H](C)c2cccc(c2)Oc2ccccc2)=[O][Cu]234([Cu](O1)([O]=C([C@@H](C)c1cccc(c1)Oc1ccccc1)O2)(OC([C@@H](C)c1cc(ccc1)Oc1ccccc1)=[O]4)([O]=C([C@H](C)c1cc(ccc1)Oc1ccccc1)O3)[O]=CN(C)C)[O]=CN(C)C
• Title of publication: Tetrakis[μ-2-(3-phenoxyphenyl)propionato-κ^2^<i>O</i>:<i>O</i>']bis[(dimethylformamide-κ<i>O</i>)copper(II)]
• Authors of publication: Agotegaray, Mariela A.; Quinzani, Oscar V.; Faccio, Ricardo; Goyenola, Cecilia; Mombrú, Álvaro W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1612 - m1613
• a: 11.142 ± 0.008 Å
• b: 11.58 ± 0.008 Å
• c: 23.891 ± 0.006 Å
• α: 90°
• β: 99.85 ± 0.06°
• γ: 90°
• Cell volume: 3037 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2103
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes